5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-pyrrolidin-1-yl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-ol

Systemtic Name: 5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-pyrrolidin-1-yl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-ol Openeye Name: 5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-pyrrolidin-1-yl-phosphoryl]oxymethyl]-4-methoxy-tetrahydrofuran-3-ol CAS Name: 5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-(1-pyrrolidinyl)phosphoryl]oxymethyl]-4-methoxy-3-oxolanol IUPAC Name: 5-(6-aminopurin-9-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-pyrrolidin-1-ylphosphoryl]oxymethyl]-4-methoxyoxolan-3-ol Traditional Name: 5-adenin-9-yl-2-[[(5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl)oxy-pyrrolidino-phosphoryl]oxymethyl]-4-methoxy-tetrahydrofuran-3-ol Formula: C25H34N11O8P MolecularWeight: 647.580121

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(N4CCCC4)OC5CC(OC5CO)N6C=NC7=C6N=CN=C7N)O

Isomeric SMILES

COC1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(N4CCCC4)OC5CC(OC5CO)N6C=NC7=C6N=CN=C7N)O

InChI

InChI=1S/C25H34N11O8P/c1-40-20-19(38)15(43-25(20)36-12-33-18-22(27)29-10-31-24(18)36)8-41-45(39,34-4-2-3-5-34)44-13-6-16(42-14(13)7-37)35-11-32-17-21(26)28-9-30-23(17)35/h9-16,19-20,25,37-38H,2-8H2,1H3,(H2,26,28,30)(H2,27,29,31)